N-(5-bromo-2-chloro-3-pyridinyl)hexanamide

C11H14BrClN2O — CID 102979268

IUPACN-(5-bromo-2-chloro-3-pyridinyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-2-3-4-5-10(16)15-9-6-8(12)7-14-11(9)13/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyCVDQEICBMZFMNC-UHFFFAOYSA-N
MW305.60 g/mol
LogP4.02
Rot. Bonds5

About N-(5-bromo-2-chloro-3-pyridinyl)hexanamide

N-(5-bromo-2-chloro-3-pyridinyl)hexanamide (PubChem CID 102979268) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)hexanamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)hexanamide
PubChem CID102979268
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-2-3-4-5-10(16)15-9-6-8(12)7-14-11(9)13/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyCVDQEICBMZFMNC-UHFFFAOYSA-N
XLogP4.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-chloro-3-pyridinyl)-4,4,4-trifluorobutanamide
CID 102979349
2-amino-N-(5-bromo-2-chloro-3-pyridinyl)hexanamide
CID 114052040
N-(2,4-dibromophenyl)hexanamide
CID 4251482
N-(2-bromo-5-chloro-4-methylphenyl)hexanamide
CID 104724053
N-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide
CID 102979133
5-bromo-2-chloro-N-ethylpyridin-3-amine
CID 59619948
N-(3-bromo-2,4-dichlorophenyl)octanamide
CID 177295929
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438
N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide
CID 46193338
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-(5-chloropyrazin-2-yl)octanamide
CID 104964264

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)hexanamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)hexanamide (CID 102979268) is N-(5-bromo-2-chloro-3-pyridinyl)hexanamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)hexanamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)hexanamide is CCCCCC(=O)Nc1cc(Br)cnc1Cl.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)hexanamide?
The InChIKey is CVDQEICBMZFMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-2-3-4-5-10(16)15-9-6-8(12)7-14-11(9)13/h6-7H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)hexanamide?
N-(5-bromo-2-chloro-3-pyridinyl)hexanamide has a molecular weight of 305.60 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-3-pyridinyl)hexanamide is sourced from PubChem (CID 102979268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).